N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide

C10H20N2 — CID 123942636

IUPACN'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
SMILESC/C=C\N/C(CC)=N/C(C)CC
InChIInChI=1S/C10H20N2/c1-5-8-11-10(7-3)12-9(4)6-2/h5,8-9H,6-7H2,1-4H3,(H,11,12)/b8-5-
InChIKeyTZQUYXAVKXGIRU-YVMONPNESA-N
MW168.28 g/mol
LogP2.72
Rot. Bonds4

About N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide

N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide (PubChem CID 123942636) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
PubChem CID123942636
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
SMILESC/C=C\N/C(CC)=N/C(C)CC
InChIInChI=1S/C10H20N2/c1-5-8-11-10(7-3)12-9(4)6-2/h5,8-9H,6-7H2,1-4H3,(H,11,12)/b8-5-
InChIKeyTZQUYXAVKXGIRU-YVMONPNESA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1Z)-2-fluorobuta-1,3-dienyl]-N'-propan-2-ylethanimidamide
CID 134228896
N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
2-ethyl-4-methyl-1H-imidazol-1-ium
CID 21549851
2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine
CID 67598333
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
N-propan-2-yl-N'-prop-2-enyl-3-(prop-2-enylamino)propanimidamide
CID 88113944
2-Ethyl-4-methyl-1,4-dihydropyrimidine
CID 89750395
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
N,N'-bis(prop-1-enyl)ethanimidamide
CID 91212517
2-Propyl-1,4-dihydropyrimidine
CID 91510032
4-Methyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 117839090

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide?
The IUPAC name of N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide (CID 123942636) is N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide.
What is the SMILES notation for N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide?
The canonical SMILES for N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide is C/C=C\N/C(CC)=N/C(C)CC.
What is the InChIKey of N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide?
The InChIKey is TZQUYXAVKXGIRU-YVMONPNESA-N. The full InChI is InChI=1S/C10H20N2/c1-5-8-11-10(7-3)12-9(4)6-2/h5,8-9H,6-7H2,1-4H3,(H,11,12)/b8-5-.
What are the key properties of N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide?
N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide is sourced from PubChem (CID 123942636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).